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Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination.
Pillaiyar T, Flury P, Krüger N, Su H, Schäkel L, Barbosa Da Silva E, Eppler O, Kronenberger T, Nie T, Luedtke S, Rocha C, Sylvester K, Petry MRI, McKerrow JH, Poso A, Pöhlmann S, Gütschow M, O'Donoghue AJ, Xu Y, Müller CE, Laufer SA. Pillaiyar T, et al. Among authors: xu y. J Med Chem. 2022 Jul 14;65(13):9376-9395. doi: 10.1021/acs.jmedchem.2c00636. Epub 2022 Jun 16. J Med Chem. 2022. PMID: 35709506
pH-dependent conformational flexibility of the SARS-CoV main proteinase (M(pro)) dimer: molecular dynamics simulations and multiple X-ray structure analyses.
Tan J, Verschueren KH, Anand K, Shen J, Yang M, Xu Y, Rao Z, Bigalke J, Heisen B, Mesters JR, Chen K, Shen X, Jiang H, Hilgenfeld R. Tan J, et al. Among authors: xu y. J Mol Biol. 2005 Nov 18;354(1):25-40. doi: 10.1016/j.jmb.2005.09.012. Epub 2005 Sep 23. J Mol Biol. 2005. PMID: 16242152 Free PMC article.
Discovery of pyrazole as C-terminus of selective BACE1 inhibitors.
Zou Y, Xu L, Chen W, Zhu Y, Chen T, Fu Y, Li L, Ma L, Xiong B, Wang X, Li J, He J, Zhang H, Xu Y, Li J, Shen J. Zou Y, et al. Among authors: xu l, xu y. Eur J Med Chem. 2013 Oct;68:270-83. doi: 10.1016/j.ejmech.2013.06.027. Epub 2013 Jun 21. Eur J Med Chem. 2013. PMID: 23988410
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